1-[(1S)-2-ethyl-1-phenyl-butyl]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[(1S)-2-ethyl-1-phenyl-butyl]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[(1S)-2-ethyl-1-phenyl-butyl]-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[(1S)-2-ethyl-1-phenylbutyl]-3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(1S)-2-ethyl-1-phenylbutyl]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[(1S)-2-ethyl-1-phenyl-butyl]-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=CC=CC=C1)NC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CCC(CC)[C@@H](C1=CC=CC=C1)NC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C23H32N4O2/c1-3-19(4-2)22(20-8-6-5-7-9-20)26-23(28)25-17-18-10-11-21(24-16-18)27-12-14-29-15-13-27/h5-11,16,19,22H,3-4,12-15,17H2,1-2H3,(H2,25,26,28)/p+1/t22-/m0/s1